SCHEMBL2623993

SCHEMBL2623993

Fc1ccc(-c2nc(Br)cs2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EIF4E P06730 1/20 0.39
CYP19A1 P11511 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SREBF2 Q12772 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14156949 0.81 ALDH1A1 (0.56) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL13857736 0.81 TRPV3 (0.38) RAB9ANPC1EIF4E
SCHEMBL67333 0.79 KDM4E (0.56) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL23367918 0.79 RAB9A (0.49) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL21861577 0.79 RAB9A (0.49) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL18952679 0.78 EIF4E (0.40) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL18171968 0.76 GFER (0.58) RAB9ANPC1KDM4EALDH1A1LMNA
SCHEMBL22815574 0.75 KDM4E (0.49) RAB9ANPC1KDM4EALDH1A1EIF4E
SCHEMBL21652239 0.75 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1MAPK1
SCHEMBL1423116 0.75 GFER (0.66) RAB9ANPC1KDM4EALDH1A1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 RAB9A 2748/4885NPC1 675/4885KDM4E 507/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.